0  B8R0.28  C=C(C)CCCC(C)C T70747 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.28  CC(=O)CCCC(C)=O AC9369 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.28  CC(=O)CCCN(C)C AC6136 [0,0,0,0,0,0|2,0,1]=3
3  B8R0.28  CC(C)=CCNC(=N)N 42806 [0,0,0,0,0,0|3,0,0]=3
4  B8R0.28  CC(C)CCOC(=O)Cl AC2336 [0,0,0,0,0,0|1,1,2]=4
5  B8R0.28  CN(C)CCCC(=O)O A11102 [0,0,0,0,0,0|3,0,1]=4
6  B7R0.4  C=C(C)CC\C=C\C T72820 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.4  CNCCNC(C)=O C77870 [1,0,0,0,0,0|2,0,1]=4
8  B9R0.1  CC[C@H](C)OCCC(C)=O T71083 [0,1,0,0,0,0|2,0,1]=4
9  B9R0.7  CC(C)=CC[C@H](N)C(=O)O A50387 [0,1,0,0,0,0|2,0,0]=3
10  B9R0.7  CC(C)=CC[C@H](N)C(=O)O A50388 [0,1,0,0,0,0|2,0,0]=3
11  B9R0.7  CC(C)=CC[C@H](N)C(=O)O A50389 [0,1,0,0,0,0|2,0,0]=3
12  B9R0.56  CC(=O)SCC[N+](C)(C)C C15407 [0,1,0,0,0,0|1,0,1]=3
13  B9R1.35  CC(=O)C1=NC(C)=CN1 I10088 [0,0,0,1,0,0|3,0,0]=4
14  B9R1.35  CC(=O)N1CCC(=O)C1 C74751 [0,0,0,1,0,0|2,0,1]=4
15  B9R1.35  CC(=O)[C@H]1CCC(=O)C1 F53665 [0,0,0,1,0,0|2,0,1]=4
16  B9R1.49  O=C1CCNC(=O)CC1 C91705 [0,0,0,1,0,0|2,0,1]=4
17  B9R1.66  CC1(C)CC(=O)CCS1 89936 [0,0,0,1,0,0|2,0,1]=4
18  B7R0.6  C=C(Br)CNC(C)=O AC9658 [0,0,0,0,1,0|2,0,1]=4
19  B7R0.6  CC(=O)NN=C(C)C C12737 [0,0,0,0,1,0|2,0,0]=3
20  B7R0.6  CC(=S)NCC(=O)O D92690 [0,0,0,0,1,0|3,0,0]=4
21  B7R0.6  C[S+](C)CCC(=O)[O-] F16477 [0,0,0,0,1,0|2,0,1]=4
22  B6R0.4  COCOC(C)=O D72003 [2,0,0,0,0,0|1,1,0]=4
23  B8R0.29  CC(=O)CSC(C)(C)C F17486 [0,1,0,0,1,0|1,0,1]=4
24  B10R0.70  CC(C)=C[C@H](CN)CC(=O)O F19337 [0,2,0,0,0,0|2,0,0]=4
25  B8R1.34  CC(=O)SC1CNC1 P12390 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.3  C=C1CCC(=O)CC1 57377 [0,0,0,1,1,0|0,0,2]=4
27  B8R1.51  CC1(C)CC(=O)CO1 P20320 [0,0,0,1,1,0|1,0,1]=4
28  B8R1.51  CC1(C)CC(=O)CS1 31047 [0,0,0,1,1,0|1,0,1]=4
29  B6R0.2  C\C(I)=C\C(=O)O W11497 [0,0,0,0,2,0|2,0,0]=4